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openforcefield / openff-benchmark

Comparison benchmarks between public force fields and Open Force Field Initiative force fields
MIT License
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OpenFF Benchmark

CI codecov Make single-file installers Pure-Python Package Build Deployment - OpenFF Benchmark Prod Environments

Comparison benchmarks between public force fields and quantum chemical methods.

conda env create openforcefield/openff-benchmark-optimization

Copyright

Copyright (c) 2020, Open Forcefield Consortium

Acknowledgements

Project based on the Computational Molecular Science Python Cookiecutter version 1.1.